기본 정보
- CAS
156857-31-7- 표준 SMILES
CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C- InChIKey
HCDDAJCHPRFUKB-CGCDITGLSA-N- 분자식
- C62H102O32
- 평균 분자량
- 1,359.5 g/mol
- 단동위원소 질량
- 1,358.6354211
이름 및 식별자
- 우선 이름
- F-en-RAXGG
- IUPAC
- (1R,2S,4S,6R,7S,8R,9S,12S,13S,16R,18S)-16-[(2S,3R,4S,5S,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-15-one
- 영어명
- 3-hydroxy-22-methoxy-26-O-glucopyranosyloxy-furost-25(27)-en-2-one-3-O-(O-rhamnopyranosyl-(1-2)-O-(O-arabinopyranosyl-(1-2)-O-(xylopyranosyl-(1-3))-glucopyranosyl-(1-4))galactopyranoside)
- 분자식
- C62H102O32
- 분자량
- 1359.47
이름 및 동의어
F-en-RaxggRefChem:921440156857-31-73-Hydroxy-22-methoxy-26-O-glucopyranosyloxy-furost-25(27)-en-2-one-3-O-(O-rhamnopyranosyl-(1-2)-O-(O-arabinopyranosyl-(1-2)-O-(xylopyranosyl-(1-3))-glucopyranosyl-(1-4))galactopyranoside)3beta-Hydroxy-22alpha-methoxy-26-O-beta-D-glucopyranosyloxy-5alpha-furost-25(27)-en-2-one-3-O-(O-alpha-L-rhamnopyranosyl(1-2)-O-(O-alpha-L-arabinopyranosyl(1-2)-O-(beta-D-xylopyranosyl(1-3))-beta-D-glucopyranosyl(1-4))-beta-D-galactopyranoside)Furostan-2-one, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-O-β-D-glucopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-22-methoxy-, (3β,5α,22α,25R)- (9CI)
데이터베이스 식별자
- CAS
156857-31-7- PubChem CID
- 190853
물성
구조 계산 물성
- XLogP
- -4.4
- 극성 표면적
- 490 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 94
- 형식 전하
- 0
- 복잡도
- 2,500
물리화학적 성질
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.59 · 12.59±0.70(Predicted)
관련 반응
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